Compound Identification
SMILES
COC1=C(F)C=C(NC2=NC(NC(=O)C3CCCN3)=NC(NCC3CCCCC3)=N2)C=C1
InChIKey
InChIKey=AKILGFXCLRNMMN-UHFFFAOYSA-N
Formula
C22H30FN7O2
Mass
443.527
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Proline and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Proline and derivatives
Alternative Parents
Alpha amino acid amides Methoxyanilines Anisoles Methoxybenzenes N-arylamides 1,3,5-triazine-2,4-diamines Phenoxy compounds Pyrrolidinecarboxamides Secondary alkylarylamines Alkyl aryl ethers N-aliphatic s-triazines Fluorobenzenes Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Methoxyaniline - Anisole - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - 2,4-diamine-s-triazine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aminotriazine - N-aliphatic s-triazine - Amino-1,3,5-triazine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - 1,3,5-triazine - Aryl fluoride - Aryl halide - Triazine - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available